2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole

Systemtic Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole Openeye Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole IUPAC Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole Formula: C17H17N2O+ MolecularWeight: 265.32968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C17H16N2O/c1-2-6-14-11-19(10-9-13(14)5-1)12-17-18-15-7-3-4-8-16(15)20-17/h1-8H,9-12H2/p+1